(E)-1,6-dibromo-2,7-dichloro-3,7-dimethyloct-3-ene

C10H16Br2Cl2 — CID 10808942

IUPAC(E)-1,6-dibromo-2,7-dichloro-3,7-dimethyloct-3-ene
SMILESC/C(=C\CC(Br)C(C)(C)Cl)C(Cl)CBr
InChIInChI=1S/C10H16Br2Cl2/c1-7(8(13)6-11)4-5-9(12)10(2,3)14/h4,8-9H,5-6H2,1-3H3/b7-4+
InChIKeyMWVIFUOYXAVDRG-QPJJXVBHSA-N
MW366.95 g/mol
LogP5.11
Rot. Bonds5

About (E)-1,6-dibromo-2,7-dichloro-3,7-dimethyloct-3-ene

(E)-1,6-dibromo-2,7-dichloro-3,7-dimethyloct-3-ene (PubChem CID 10808942) has the molecular formula C10H16Br2Cl2 and a molecular weight of 366.95 g/mol. Its IUPAC name is (E)-1,6-dibromo-2,7-dichloro-3,7-dimethyloct-3-ene.

Molecular Properties

Compound Name(E)-1,6-dibromo-2,7-dichloro-3,7-dimethyloct-3-ene
PubChem CID10808942
Molecular FormulaC10H16Br2Cl2
Molecular Weight366.95 g/mol
Exact Mass363.90
IUPAC Name(E)-1,6-dibromo-2,7-dichloro-3,7-dimethyloct-3-ene
SMILESC/C(=C\CC(Br)C(C)(C)Cl)C(Cl)CBr
InChIInChI=1S/C10H16Br2Cl2/c1-7(8(13)6-11)4-5-9(12)10(2,3)14/h4,8-9H,5-6H2,1-3H3/b7-4+
InChIKeyMWVIFUOYXAVDRG-QPJJXVBHSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.95
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,6-dibromo-2,7-dichloro-3,7-dimethyloct-3-ene?
The IUPAC name of (E)-1,6-dibromo-2,7-dichloro-3,7-dimethyloct-3-ene (CID 10808942) is (E)-1,6-dibromo-2,7-dichloro-3,7-dimethyloct-3-ene.
What is the SMILES notation for (E)-1,6-dibromo-2,7-dichloro-3,7-dimethyloct-3-ene?
The canonical SMILES for (E)-1,6-dibromo-2,7-dichloro-3,7-dimethyloct-3-ene is C/C(=C\CC(Br)C(C)(C)Cl)C(Cl)CBr.
What is the InChIKey of (E)-1,6-dibromo-2,7-dichloro-3,7-dimethyloct-3-ene?
The InChIKey is MWVIFUOYXAVDRG-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H16Br2Cl2/c1-7(8(13)6-11)4-5-9(12)10(2,3)14/h4,8-9H,5-6H2,1-3H3/b7-4+.
What are the key properties of (E)-1,6-dibromo-2,7-dichloro-3,7-dimethyloct-3-ene?
(E)-1,6-dibromo-2,7-dichloro-3,7-dimethyloct-3-ene has a molecular weight of 366.95 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,6-dibromo-2,7-dichloro-3,7-dimethyloct-3-ene is sourced from PubChem (CID 10808942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).